CID 28581421

2-chloro-n-[2-(morpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1COCCN1CCNC2=CC=CC=C2Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKey
GYOPGWDIAZHFQJ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-morpholin-4-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.110216 154.4
[M+Na]+ 263.092158 159.6
[M-H]- 239.095664 159.0
[M+NH4]+ 258.136763 169.4
[M+K]+ 279.066098 156.2
[M+H-H2O]+ 223.100200 146.4
[M+HCOO]- 285.101141 169.4
[M+CH3COO]- 299.116791 191.4
[M+Na-2H]- 261.077606 160.3
[M]+ 240.10239142 152.7
[M]- 240.10348858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.